CID 135483973

Nsc658697

Structural Information

Molecular Formula
C21H15NO3
SMILES
CC1=CC=CC=C1C2=NC(=C(O2)O)/C=C\3/C(=O)C=CC4=CC=CC=C43
InChI
InChI=1S/C21H15NO3/c1-13-6-2-4-8-15(13)20-22-18(21(24)25-20)12-17-16-9-5-3-7-14(16)10-11-19(17)23/h2-12,24H,1H3/b17-12+
InChIKey
YNCPROAUJHEQIY-SFQUDFHCSA-N
Compound name
(1E)-1-[[5-hydroxy-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylidene]naphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1052 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.11248 177.5
[M+Na]+ 352.09442 187.4
[M-H]- 328.09792 187.2
[M+NH4]+ 347.13902 190.9
[M+K]+ 368.06836 181.7
[M+H-H2O]+ 312.10246 168.9
[M+HCOO]- 374.10340 197.1
[M+CH3COO]- 388.11905 189.1
[M+Na-2H]- 350.07987 179.9
[M]+ 329.10465 178.5
[M]- 329.10575 178.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.